Sugi Predict

Sugi Predict / Compounds / SCHEMBL13535

SCHEMBL13535

SCHEMBL13535

CCOCC(C)(C)c1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9443 0.81 GRIN2D (0.38) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL12002735 0.80 GRIN2D (0.35) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL15043684 0.79 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3239365 0.78 NPC1 (0.48) NPC1RAB9AMAPTALDH1A1CYP2A6
Ether SCHEMBL6687627 0.77 CYP2A6 (0.50) NPC1RAB9AHPGDGAAMAPT
SCHEMBL12002512 0.76 ALDH1A1 (0.33) HPGDALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL16823983 0.74 CNR2 (0.42) ALDH1A1CYP2A6SHBGESR1ESR2
SCHEMBL3047470 0.73 DUT (0.33) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7922012 0.73 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMAPK1MMP14
SCHEMBL4573159 0.72 CYP2A6 (0.35) NPC1RAB9AHPGDMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485591-B1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 — — US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 — — US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 — — US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 — — US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 NPC1 796/4885RAB9A 1351/4885HPGD 1333/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.